4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol

C20H22N2O — CID 42642761

IUPAC4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol
SMILESCCC(c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1ccnc1
InChIInChI=1S/C20H22N2O/c1-4-19(22-10-9-21-13-22)17-7-5-16(6-8-17)18-11-14(2)20(23)15(3)12-18/h5-13,19,23H,4H2,1-3H3
InChIKeyDBNZDJDCWSGGOH-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.87
Rot. Bonds4

About 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol

4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol (PubChem CID 42642761) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol
PubChem CID42642761
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol
SMILESCCC(c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1ccnc1
InChIInChI=1S/C20H22N2O/c1-4-19(22-10-9-21-13-22)17-7-5-16(6-8-17)18-11-14(2)20(23)15(3)12-18/h5-13,19,23H,4H2,1-3H3
InChIKeyDBNZDJDCWSGGOH-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol (CID 42642761) is 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol is CCC(c1ccc(-c2cc(C)c(O)c(C)c2)cc1)n1ccnc1.
What is the InChIKey of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol?
The InChIKey is DBNZDJDCWSGGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-4-19(22-10-9-21-13-22)17-7-5-16(6-8-17)18-11-14(2)20(23)15(3)12-18/h5-13,19,23H,4H2,1-3H3.
What are the key properties of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol?
4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol has a molecular weight of 306.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2,6-dimethylphenol is sourced from PubChem (CID 42642761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).